3-hydroxy-4-methyl-5-(2-phenyl-1,3-thiazol-5-yl)pyridine-2-carboxylic acid

C16H12N2O3S — CID 162731592

IUPAC3-hydroxy-4-methyl-5-(2-phenyl-1,3-thiazol-5-yl)pyridine-2-carboxylic acid
SMILESCc1c(-c2cnc(-c3ccccc3)s2)cnc(C(=O)O)c1O
InChIInChI=1S/C16H12N2O3S/c1-9-11(7-17-13(14(9)19)16(20)21)12-8-18-15(22-12)10-5-3-2-4-6-10/h2-8,19H,1H3,(H,20,21)
InChIKeyVMFQKGZFXCSAQZ-UHFFFAOYSA-N
MW312.35 g/mol
LogP3.58
Rot. Bonds3

About 3-hydroxy-4-methyl-5-(2-phenyl-1,3-thiazol-5-yl)pyridine-2-carboxylic acid

3-hydroxy-4-methyl-5-(2-phenyl-1,3-thiazol-5-yl)pyridine-2-carboxylic acid (PubChem CID 162731592) has the molecular formula C16H12N2O3S and a molecular weight of 312.35 g/mol. Its IUPAC name is 3-hydroxy-4-methyl-5-(2-phenyl-1,3-thiazol-5-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-4-methyl-5-(2-phenyl-1,3-thiazol-5-yl)pyridine-2-carboxylic acid
PubChem CID162731592
Molecular FormulaC16H12N2O3S
Molecular Weight312.35 g/mol
Exact Mass312.06
IUPAC Name3-hydroxy-4-methyl-5-(2-phenyl-1,3-thiazol-5-yl)pyridine-2-carboxylic acid
SMILESCc1c(-c2cnc(-c3ccccc3)s2)cnc(C(=O)O)c1O
InChIInChI=1S/C16H12N2O3S/c1-9-11(7-17-13(14(9)19)16(20)21)12-8-18-15(22-12)10-5-3-2-4-6-10/h2-8,19H,1H3,(H,20,21)
InChIKeyVMFQKGZFXCSAQZ-UHFFFAOYSA-N
XLogP3.58
TPSA83.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methyl-5-(2-phenyl-1,3-thiazol-5-yl)pyridine-2-carboxylic acid?
The IUPAC name of 3-hydroxy-4-methyl-5-(2-phenyl-1,3-thiazol-5-yl)pyridine-2-carboxylic acid (CID 162731592) is 3-hydroxy-4-methyl-5-(2-phenyl-1,3-thiazol-5-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-hydroxy-4-methyl-5-(2-phenyl-1,3-thiazol-5-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-hydroxy-4-methyl-5-(2-phenyl-1,3-thiazol-5-yl)pyridine-2-carboxylic acid is Cc1c(-c2cnc(-c3ccccc3)s2)cnc(C(=O)O)c1O.
What is the InChIKey of 3-hydroxy-4-methyl-5-(2-phenyl-1,3-thiazol-5-yl)pyridine-2-carboxylic acid?
The InChIKey is VMFQKGZFXCSAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3S/c1-9-11(7-17-13(14(9)19)16(20)21)12-8-18-15(22-12)10-5-3-2-4-6-10/h2-8,19H,1H3,(H,20,21).
What are the key properties of 3-hydroxy-4-methyl-5-(2-phenyl-1,3-thiazol-5-yl)pyridine-2-carboxylic acid?
3-hydroxy-4-methyl-5-(2-phenyl-1,3-thiazol-5-yl)pyridine-2-carboxylic acid has a molecular weight of 312.35 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methyl-5-(2-phenyl-1,3-thiazol-5-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 162731592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).